5-[1-(4-ethoxyphenyl)-4,5-diphenylimidazol-2-yl]-2-hydroxy-3-methoxybenzaldehyde

C31H26N2O4 — CID 155928295

IUPAC5-[1-(4-ethoxyphenyl)-4,5-diphenylimidazol-2-yl]-2-hydroxy-3-methoxybenzaldehyde
SMILESCCOc1ccc(-n2c(-c3cc(C=O)c(O)c(OC)c3)nc(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C31H26N2O4/c1-3-37-26-16-14-25(15-17-26)33-29(22-12-8-5-9-13-22)28(21-10-6-4-7-11-21)32-31(33)23-18-24(20-34)30(35)27(19-23)36-2/h4-20,35H,3H2,1-2H3
InChIKeyHYOMTNZWOGNZMW-UHFFFAOYSA-N
MW490.56 g/mol
LogP6.80
Rot. Bonds8

About 5-[1-(4-ethoxyphenyl)-4,5-diphenylimidazol-2-yl]-2-hydroxy-3-methoxybenzaldehyde

5-[1-(4-ethoxyphenyl)-4,5-diphenylimidazol-2-yl]-2-hydroxy-3-methoxybenzaldehyde (PubChem CID 155928295) has the molecular formula C31H26N2O4 and a molecular weight of 490.56 g/mol. Its IUPAC name is 5-[1-(4-ethoxyphenyl)-4,5-diphenylimidazol-2-yl]-2-hydroxy-3-methoxybenzaldehyde.

Molecular Properties

Compound Name5-[1-(4-ethoxyphenyl)-4,5-diphenylimidazol-2-yl]-2-hydroxy-3-methoxybenzaldehyde
PubChem CID155928295
Molecular FormulaC31H26N2O4
Molecular Weight490.56 g/mol
Exact Mass490.19
IUPAC Name5-[1-(4-ethoxyphenyl)-4,5-diphenylimidazol-2-yl]-2-hydroxy-3-methoxybenzaldehyde
SMILESCCOc1ccc(-n2c(-c3cc(C=O)c(O)c(OC)c3)nc(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C31H26N2O4/c1-3-37-26-16-14-25(15-17-26)33-29(22-12-8-5-9-13-22)28(21-10-6-4-7-11-21)32-31(33)23-18-24(20-34)30(35)27(19-23)36-2/h4-20,35H,3H2,1-2H3
InChIKeyHYOMTNZWOGNZMW-UHFFFAOYSA-N
XLogP6.80
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.56
LogP ≤ 56.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-ethoxyphenyl)-4,5-diphenylimidazol-2-yl]-2-hydroxy-3-methoxybenzaldehyde?
The IUPAC name of 5-[1-(4-ethoxyphenyl)-4,5-diphenylimidazol-2-yl]-2-hydroxy-3-methoxybenzaldehyde (CID 155928295) is 5-[1-(4-ethoxyphenyl)-4,5-diphenylimidazol-2-yl]-2-hydroxy-3-methoxybenzaldehyde.
What is the SMILES notation for 5-[1-(4-ethoxyphenyl)-4,5-diphenylimidazol-2-yl]-2-hydroxy-3-methoxybenzaldehyde?
The canonical SMILES for 5-[1-(4-ethoxyphenyl)-4,5-diphenylimidazol-2-yl]-2-hydroxy-3-methoxybenzaldehyde is CCOc1ccc(-n2c(-c3cc(C=O)c(O)c(OC)c3)nc(-c3ccccc3)c2-c2ccccc2)cc1.
What is the InChIKey of 5-[1-(4-ethoxyphenyl)-4,5-diphenylimidazol-2-yl]-2-hydroxy-3-methoxybenzaldehyde?
The InChIKey is HYOMTNZWOGNZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26N2O4/c1-3-37-26-16-14-25(15-17-26)33-29(22-12-8-5-9-13-22)28(21-10-6-4-7-11-21)32-31(33)23-18-24(20-34)30(35)27(19-23)36-2/h4-20,35H,3H2,1-2H3.
What are the key properties of 5-[1-(4-ethoxyphenyl)-4,5-diphenylimidazol-2-yl]-2-hydroxy-3-methoxybenzaldehyde?
5-[1-(4-ethoxyphenyl)-4,5-diphenylimidazol-2-yl]-2-hydroxy-3-methoxybenzaldehyde has a molecular weight of 490.56 g/mol, XLogP of 6.80, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-ethoxyphenyl)-4,5-diphenylimidazol-2-yl]-2-hydroxy-3-methoxybenzaldehyde is sourced from PubChem (CID 155928295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).